SCHEMBL871317

SCHEMBL871317

COC(=O)c1cccc(S(C)(=O)=NC(=O)c2cnc(N)c(-c3cccc(NC(=O)c4cc(C)nn4C)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.42
PDGFRB P09619 16/20 0.42
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
ROCK2 O75116 1/20 0.38
ATR Q13535 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10183184 0.93 KDR (0.43) KDRPDGFRBMEN1KMT2AATR
SCHEMBL871935 0.89 PDGFRB (0.44) KDRPDGFRBROCK2
SCHEMBL10182677 0.87 KDR (0.42) KDRPDGFRBROCK2ATR
SCHEMBL10182506 0.87 KMT2A (0.39) KDRPDGFRBMEN1ALDH1A1LMNA
SCHEMBL12751011 0.86 KDR (0.56) KDRPDGFRB
SCHEMBL835523 0.86 KDR (0.56) KDRPDGFRB
SCHEMBL871295 0.85 PDGFRB (0.47) KDRPDGFRB
SCHEMBL10183838 0.84 KDR (0.43) KDRPDGFRBATR
SCHEMBL834646 0.80 KDR (0.53) KDRPDGFRB
SCHEMBL12751008 0.80 KDR (0.53) KDRPDGFRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MEN1 3831/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MEN1 3831/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885MEN1 3831/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.